Crystal structure of fac-aqua-[(E)-4-(benzo[ d]thia-zol-2-yl)- N-(pyridin-2-yl-methyl-idene)aniline-κ2 N, N']tricarbonylrhenium(I) hexa-fluorido-phosphate methanol monosolvate

Abstract

In the title compound, fac-[Re(C₁₉H₁₃N₃S)(CO)₃(H₂O)]PF₆·CH₃OH, the coordination environment of the Re^I atom is octa-hedral with a C₃N₂O coordination set. In this mol-ecule, the N,N' bidentate ligand, (E)-4-(benzo[d]thia-zol-2-yl)-N-(pyridin-2-yl-methyl-idene)aniline, and the monodentate aqua ligand occupy the three available coordination sites of the [Re(CO)₃]⁺ core, generating a '2 + 1' mixed-ligand complex. In this complex, the Re-C bonds of the carbonyl ligands trans to the coordinating N,N' atoms of the bidentate ligand are longer than the Re-C bond of the carbonyl group trans to the aqua ligand, in accordance with the intensity of their trans effects. The complex is positively charged with PF₆ ^- as the counter-ion. In the structure, the complexes form dimers through π-π inter-molecular inter-actions. O-H⋯O and O-H⋯N hydrogen bonds lead to the formation of stacks parallel to the a axis, which further extend into layers parallel to (01). Through O-H⋯F hydrogen bonds between the complexes and the PF₆ ^-counter-anions, a three-dimensional network is established.

Keywords: 2-(4′-amino­phen­yl)benzo­thia­zole; Hirshfeld surface analysis; crystal structure; mixed ligand complex; trans effect; tricarbonyl rhenium (I).